# generated using pymatgen
data_CrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91388854
_cell_length_b   4.40919177
_cell_length_c   4.40919177
_cell_angle_alpha   90.00100111
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrO2
_chemical_formula_sum   'Cr2 O4'
_cell_volume   56.64882570
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cr  Cr0  1  0.50000100  0.50000100  0.50000100  1.0
  Cr  Cr1  1  -0.00000000  0.00000000  0.00000000  1.0
  O  O2  1  -0.00000000  0.69725751  0.69725751  1.0
  O  O3  1  0.50000100  0.80277488  0.19722412  1.0
  O  O4  1  0.00000000  0.30274349  0.30274349  1.0
  O  O5  1  0.50000100  0.19722412  0.80277488  1.0